[chimerax-users] unifold

Tom Goddard goddard at sonic.net
Wed Apr 12 15:05:18 PDT 2023


Hi Roger,

  Unifold looks interesting.

	https://github.com/dptech-corp/Uni-Fold

It is an open source reimplementation of AlphaFold using the PyTorch machine learning framework done by a China-based company called DPTech (https://www.dptech.com/).  From reading the github page it sounds like one of its main advantages over AlphaFold is that the training code and protocol is all open source.  Code for the training of AlphaFold was never made available as far as I know.

  That is all nice, but what are the best reasons for our UCSF lab to try to offer this in ChimeraX?  The ChimeraX AlphaFold user interface took about 2 months of development with ongoing maintenance.  I'd estimate the cost so far at $30,000.  ChimeraX is funded by NIH grants.  Is it worth expending similar resources to implement and maintain an interface to UniFold?

	Tom


> On Apr 12, 2023, at 2:24 PM, Roger Leng via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Dear Administrators,
> 
> Is it possible to add "unifold" in your prediction, just like Alphafold?
> 
> Thank you.
> 
> Sincerely,
> 
> Roger Leng
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> ChimeraX-users at cgl.ucsf.edu
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